acetonitrile;N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine;ethanone;palladium(2+);tetrafluoroborate | 339086-36-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: acetonitrile;N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine;ethanone;palladium(2+);tetrafluoroborate
• CAS: 339086-36-1；231608-31-4
• 化学式: BF₄*C₂₉H₂₆N₂OPPd
• 分子量: 642.737
• InChiKey: RYVMVQBABCKHTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.14
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  53.2
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  乙酸乙烯酯 、 acetonitrile;N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine;ethanone;palladium(2+);tetrafluoroborate 以 二氯甲烷 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Study of Insertion of Olefins and/or Carbon Monoxide into Phosphine−Imine Palladium Methyl Complexes

  摘要：

  Palladium methyl complexes with a phosphine-imine (P similar toN) bidentate ligand, [Pd(P similar toN)-MeCl] (1), [Pd(P similar toN)Me(CH3CN)] (BF4) (2), and [Pd(P similar toN)Me(PPh3)] (BF4) (3), are treated with CO to result in the corresponding Pd-acyl complexes 4-6. NMR studies indicate the formation of a sole isomer with the acyl group cis to the phosphine donor. The neutral complex 4 and the triphenylphosphine-substituted complex 6 cannot serve for the insertion of ethylene. However, the acetonitrile complex 5 appears to be active in the insertion reaction with various alkenes as well as ethylene/CO (E-CO) co-oligomerization, resulting in the products 7-14 and 16, which have been isolated and characterized by spectroscopic methods. X-ray structures of 1, 2, 3, 4, 7, 10, 11, and 13 are revealed.

  DOI：

  10.1021/om000880q
• 作为产物：
  描述：

  、 一氧化碳 以 二氯甲烷 为溶剂， 以75%的产率得到acetonitrile;N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine;ethanone;palladium(2+);tetrafluoroborate
  参考文献：
  名称：

  Study of Insertion of Olefins and/or Carbon Monoxide into Phosphine−Imine Palladium Methyl Complexes

  摘要：

  Palladium methyl complexes with a phosphine-imine (P similar toN) bidentate ligand, [Pd(P similar toN)-MeCl] (1), [Pd(P similar toN)Me(CH3CN)] (BF4) (2), and [Pd(P similar toN)Me(PPh3)] (BF4) (3), are treated with CO to result in the corresponding Pd-acyl complexes 4-6. NMR studies indicate the formation of a sole isomer with the acyl group cis to the phosphine donor. The neutral complex 4 and the triphenylphosphine-substituted complex 6 cannot serve for the insertion of ethylene. However, the acetonitrile complex 5 appears to be active in the insertion reaction with various alkenes as well as ethylene/CO (E-CO) co-oligomerization, resulting in the products 7-14 and 16, which have been isolated and characterized by spectroscopic methods. X-ray structures of 1, 2, 3, 4, 7, 10, 11, and 13 are revealed.

  DOI：

  10.1021/om000880q

文献信息

• Study of Insertion of Olefins and/or Carbon Monoxide into Phosphine−Imine Palladium Methyl Complexes
  作者：K. Rajender Reddy、K. Surekha、Gene-Hsiang Lee、Shie-Ming Peng、Jwu-Ting Chen、Shiuh-Tzung Liu

  DOI：10.1021/om000880q

  日期：2001.4.1

  Palladium methyl complexes with a phosphine-imine (P similar toN) bidentate ligand, [Pd(P similar toN)-MeCl] (1), [Pd(P similar toN)Me(CH3CN)] (BF4) (2), and [Pd(P similar toN)Me(PPh3)] (BF4) (3), are treated with CO to result in the corresponding Pd-acyl complexes 4-6. NMR studies indicate the formation of a sole isomer with the acyl group cis to the phosphine donor. The neutral complex 4 and the triphenylphosphine-substituted complex 6 cannot serve for the insertion of ethylene. However, the acetonitrile complex 5 appears to be active in the insertion reaction with various alkenes as well as ethylene/CO (E-CO) co-oligomerization, resulting in the products 7-14 and 16, which have been isolated and characterized by spectroscopic methods. X-ray structures of 1, 2, 3, 4, 7, 10, 11, and 13 are revealed.